4Z7X
MdbA protein, a thiol-disulfide oxidoreductase from Actinomyces oris.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-08-02 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9792 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 46.880, 66.860, 256.169 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.400 - 1.550 |
| R-factor | 0.1267 |
| Rwork | 0.124 |
| R-free | 0.17990 |
| Structure solution method | SAD |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.610 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | REFMAC (5.8.0073) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 38.400 | 50.000 | 1.580 |
| High resolution limit [Å] | 1.550 | 4.210 | 1.550 |
| Rmerge | 0.100 | 0.060 | 0.606 |
| Rmeas | 0.109 | 0.066 | 0.696 |
| Rpim | 0.043 | 0.026 | 0.332 |
| Total number of observations | 371950 | ||
| Number of reflections | 59458 | ||
| <I/σ(I)> | 9.1 | ||
| Completeness [%] | 99.9 | 99.2 | 98.4 |
| Redundancy | 6.3 | 6.1 | 4.1 |
| CC(1/2) | 0.997 | 0.714 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 9.5 | 277 | 37.1 PEG 8000, 0.04 M sodium iodide, 0.15 M CAPSO buffer |
